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ScientificNameLabel
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3',5-dihydroxy-3,4',5',6,7-pentamethoxyflavone
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| PHCD compound ID : |
1308
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| Chemical Names : |
3',5-dihydroxy-3,4',5',6,7-pentamethoxyflavone
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| Molecular Formula : |
C20H20O9
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| Molecular Weight : |
404.110732
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More Details :
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| Names & Synonyms: |
5-hydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one , 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-1-benzopyran-4-one , 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one , 2-(3,4-dimethoxy-5-oxidanyl-phenyl)-3,6,7-trimethoxy-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)-3,6,7-trimethoxy-chromone
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| Smiles: |
COc1c(O)cc(cc1OC)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OC
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| InChi : |
InChI=1S/C20H20O9/c1-24-12-7-9(6-10(21)18(12)26-3)17-20(28-5)16(23)14-11(29-17)8-13(25-2)19(27-4)15(14)22/h6-8,21-22H,1-5H3
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| InChi Key : |
InChIKey=VGUJFXQAVCKLOB-UHFFFAOYSA-N
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| PubChem ID : |
14037471
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| Rotatable bond count : |
6
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
8.742905
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
4.918
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| XLogP : |
2.419
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VDW volume : |
353.627146
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| Molecular weight : |
404.110732
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HOMO-LUMO gap : |
7.724000
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| Herb list : |
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